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Materials Data on Yb4Bi3 by Materials Project

Yb4Bi3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Yb is bonded to six equivalent Bi atoms to form a mixture of distorted edge, face, and corner-sharing YbBi6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°. There are three shorter (3.25 Å) and three longer (3.43 Å) Yb–Bi bond lengths. Bi is bonded to eight equivalent Yb atoms to form a mixture of distorted edge, face, and corner-sharing BiYb8 hexagonal bipyramids.

36 MATERIALS SCIENCE↗

Materials Data on Yb5Bi3 by Materials Project

Yb5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.13–3.73 Å. In the second Yb site, Yb is bonded in a 5-coordinate geometry to six Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.27–3.81 Å. In the third Yb site, Yb is bonded to five Bi atoms to form distorted edge-sharing YbBi5 square pyramids. There are one shorter (3.27 Å) and four longer (3.34 Å) Yb–Bi bond lengths. In the fourth Yb site, Yb is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.15–3.50 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to nine Yb atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to eight Yb atoms.

36 MATERIALS SCIENCE↗

Materials Data on YbBi2 by Materials Project

YbBi2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Yb is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.35–3.67 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to six equivalent Yb and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.21 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.32 Å.

36 MATERIALS SCIENCE↗

Materials Data on Yb11Bi10 by Materials Project

Yb11Bi10 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.26–3.55 Å. In the second Yb site, Yb is bonded to seven Bi atoms to form a mixture of distorted face, edge, and corner-sharing YbBi7 pentagonal bipyramids. There are a spread of Yb–Bi bond distances ranging from 3.25–3.70 Å. In the third Yb site, Yb is bonded in a 9-coordinate geometry to nine Bi atoms. There are four shorter (3.56 Å) and five longer (3.71 Å) Yb–Bi bond lengths. In the fourth Yb site, Yb is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Yb–Bi bond distances ranging from 3.05–3.85 Å. There are five inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Yb atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Yb atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to eight Yb atoms. In the fourth Bi site, Bi is bonded in a 10-coordinate geometry to eight Yb and two Bi atoms. There are one shorter (3.18 Å) and one longer (3.31 Å) Bi–Bi bond lengths. In the fifth Bi site, Bi is bonded in a 11-coordinate geometry to seven Yb and four Bi atoms. Both Bi–Bi bond lengths are 3.27 Å.

36 MATERIALS SCIENCE↗

Materials Data on YbBi3 by Materials Project

YbBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Bi atoms to form a mixture of corner and face-sharing YbBi12 cuboctahedra. All Yb–Bi bond lengths are 3.52 Å. Bi is bonded in a distorted square co-planar geometry to four equivalent Yb atoms.

36 MATERIALS SCIENCE↗